2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

C114H68N12 — CID 130271209

IUPAC2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc(-c5cccc(-c6nc(-c7cccc(-c8cncc(-c9cccc(-c%10nc(-c%11ccc(-c%12ccncc%12)cc%11)nc(-c%11cc%12ccc%13ccccc%13c%12c%12ccccc%11%12)n%10)c9)c8)c7)nc(-c7cc8ccc9ccccc9c8c8ccccc78)n6)c5)c4)c3)nc(-c3cc4ccc5ccccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C114H68N12/c1-2-23-74(24-3-1)106-118-108(123-112(121-106)99-63-81-49-44-71-20-4-7-33-90(71)103(81)96-39-13-10-36-93(96)99)84-29-16-25-76(58-84)79-54-57-117-102(66-79)80-28-19-32-87(61-80)111-120-110(125-114(126-111)101-65-83-51-46-73-22-6-9-35-92(73)105(83)98-41-15-12-38-95(98)101)86-31-18-27-78(60-86)89-62-88(67-116-68-89)77-26-17-30-85(59-77)109-119-107(75-47-42-69(43-48-75)70-52-55-115-56-53-70)122-113(124-109)100-64-82-50-45-72-21-5-8-34-91(72)104(82)97-40-14-11-37-94(97)100/h1-68H
InChIKeyKLEFFVRISGVXCQ-UHFFFAOYSA-N
MW1605.88 g/mol
LogP28.14
Rot. Bonds14

About 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine

2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 130271209) has the molecular formula C114H68N12 and a molecular weight of 1605.88 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID130271209
Molecular FormulaC114H68N12
Molecular Weight1605.88 g/mol
Exact Mass1604.57
IUPAC Name2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccnc(-c5cccc(-c6nc(-c7cccc(-c8cncc(-c9cccc(-c%10nc(-c%11ccc(-c%12ccncc%12)cc%11)nc(-c%11cc%12ccc%13ccccc%13c%12c%12ccccc%11%12)n%10)c9)c8)c7)nc(-c7cc8ccc9ccccc9c8c8ccccc78)n6)c5)c4)c3)nc(-c3cc4ccc5ccccc5c4c4ccccc34)n2)cc1
InChIInChI=1S/C114H68N12/c1-2-23-74(24-3-1)106-118-108(123-112(121-106)99-63-81-49-44-71-20-4-7-33-90(71)103(81)96-39-13-10-36-93(96)99)84-29-16-25-76(58-84)79-54-57-117-102(66-79)80-28-19-32-87(61-80)111-120-110(125-114(126-111)101-65-83-51-46-73-22-6-9-35-92(73)105(83)98-41-15-12-38-95(98)101)86-31-18-27-78(60-86)89-62-88(67-116-68-89)77-26-17-30-85(59-77)109-119-107(75-47-42-69(43-48-75)70-52-55-115-56-53-70)122-113(124-109)100-64-82-50-45-72-21-5-8-34-91(72)104(82)97-40-14-11-37-94(97)100/h1-68H
InChIKeyKLEFFVRISGVXCQ-UHFFFAOYSA-N
XLogP28.14
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.88
LogP ≤ 528.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine (CID 130271209) is 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccnc(-c5cccc(-c6nc(-c7cccc(-c8cncc(-c9cccc(-c%10nc(-c%11ccc(-c%12ccncc%12)cc%11)nc(-c%11cc%12ccc%13ccccc%13c%12c%12ccccc%11%12)n%10)c9)c8)c7)nc(-c7cc8ccc9ccccc9c8c8ccccc78)n6)c5)c4)c3)nc(-c3cc4ccc5ccccc5c4c4ccccc34)n2)cc1.
What is the InChIKey of 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is KLEFFVRISGVXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N12/c1-2-23-74(24-3-1)106-118-108(123-112(121-106)99-63-81-49-44-71-20-4-7-33-90(71)103(81)96-39-13-10-36-93(96)99)84-29-16-25-76(58-84)79-54-57-117-102(66-79)80-28-19-32-87(61-80)111-120-110(125-114(126-111)101-65-83-51-46-73-22-6-9-35-92(73)105(83)98-41-15-12-38-95(98)101)86-31-18-27-78(60-86)89-62-88(67-116-68-89)77-26-17-30-85(59-77)109-119-107(75-47-42-69(43-48-75)70-52-55-115-56-53-70)122-113(124-109)100-64-82-50-45-72-21-5-8-34-91(72)104(82)97-40-14-11-37-94(97)100/h1-68H.
What are the key properties of 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine?
2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 1605.88 g/mol, XLogP of 28.14, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]phenanthren-5-yl-4-[3-[5-[3-[4-benzo[c]phenanthren-5-yl-6-[3-[4-[3-(4-benzo[c]phenanthren-5-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130271209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).